N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21N3O4/c1-3-27-17-9-13-8-12(2)28-18(13)10-14(17)11-22-21(26)19-15-6-4-5-7-16(15)20(25)24-23-19/h4-7,9-10,12H,3,8,11H2,1-2H3,(H,22,26)(H,24,25)/t12-/m0/s1